587003-80-3
N-(2-BROMO-4,6-DIFLUOROPHENYL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
NameN-(2-BROMO-4,6-DIFLUOROPHENYL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
FormulaC18 H16 Br F2 N3 O2 S2
1Identification
【Name】
N-(2-BROMO-4,6-DIFLUOROPHENYL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04031394
【English Synonyms】
【Formula】
C18 H16 Br F2 N3 O2 S2
【MolWeight】
488.375
【Inchi】
InChI=1S/C18H16BrF2N3O2S2/c1-4-24-17(26)14-8(2)9(3)28-16(14)23-18(24)27-7-13(25)22-15-11(19)5-10(20)6-12(15)21/h5-6H,4,7H2,1-3H3,(H,22,25)
【InChIKey】
InChIKey=SCPOOLIZAJPYIT-UHFFFAOYSA-N
【SMILES】
CCn1c(=O)c2c(c(sc2nc1SCC(=O)Nc3c(cc(cc3Br)F)F)C)C
【MOL File】
N-(2-BROMO-4,6-DIFLU….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(2-BROMO-4,6-DIFLUOROPHENYL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE.cml